3-cyanopropyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: 3-cyanopropyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 3-cyanopropyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 3-cyanopropyl ester Formula: C18H13NO5S MolecularWeight: 355.36452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCCCC#N

InChI

InChI=1S/C18H13NO5S/c19-9-3-4-10-24-18(21)12-7-8-14-16(11-12)25(22,23)15-6-2-1-5-13(15)17(14)20/h1-2,5-8,11H,3-4,10H2